BRH4S0 -OEChem-04042101573D 60 61 0 0 0 0 0 0 0999 V2000 5.0916 -2.0549 0.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 0.1571 -0.8399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 3.1158 1.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 1.5993 2.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 1.0992 -3.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6554 -0.4838 -1.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 3.3598 -1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 0.9539 0.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 -2.4421 1.2153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -1.8922 0.2729 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -1.9645 1.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 -2.3813 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.6845 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 -0.6371 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -3.7532 1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -2.7652 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 -0.3761 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4508 -0.2216 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 -0.2573 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -0.5495 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 0.7598 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 0.5007 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 2.0145 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 0.8952 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 0.9973 -1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 -0.1553 -0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 2.1331 -0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 0.5670 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 2.9068 2.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 1.8932 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -0.1107 -3.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1913 -1.2233 -2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -2.3555 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5225 -0.8756 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 -2.0000 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 -3.4728 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -3.7150 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2209 -4.0469 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -4.4918 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 -3.6884 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -2.3361 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2253 -3.0058 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -1.1740 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -1.1124 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 0.6034 1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 0.7249 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 4.0244 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9162 0.6393 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 2.2928 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9798 2.5070 2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 3.8877 2.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 0.9811 3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 2.5383 2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 2.4573 4.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -0.5800 -3.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -0.7970 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 0.1565 -4.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4638 -0.6516 -3.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8115 -2.2086 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 -1.3962 -3.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 31 1 0 0 0 0 6 26 1 0 0 0 0 6 32 1 0 0 0 0 7 27 1 0 0 0 0 7 47 1 0 0 0 0 8 28 1 0 0 0 0 8 48 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 25 1 0 0 0 0 19 43 1 0 0 0 0 20 26 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$